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After spending two years doing
post-doctoral work at Brookhaven National Laboratories,
he moved to
St. Louis to work at Monsanto Agricultural Co.
on molecular
design, physiology, screening, and SAR-guided
synthesis. Tripos lured him away in 1994
to put his experience to
work in expanding the range of software available to help others
working in similar areas. Bob eventually became Vice President of
Science and Research at Tripos, which he left to
found his own research and consulting company, Biochemical
Infometrics. He became Director of Life Sciences at Simulations Plus in January 2010, a post he has held
since. He has held an adjunct professorship in the
School of Informatics at Indiana
University since 2006. The broad range of technical journals
for which he reviews manuscripts - the Journal of Medicinal Chemistry, the
Journal of Agricultural and
Food
Chemistry, the Journal of
Chemical Information and Modeling, the Journal of Computer-Aided Molecular Design,
the Journal of Computational
Chemistry and the Australian
Journal of Chemistry, among others - attests to the breadth of
his
skill base and experience. Professional Experience
Director of Life Sciences
Founder and Chief Scientist.
Research and consulting company launched in mid-2008 to encourage the development, characterization and careful application of molecular design methods.
Adjunct Professor in the School of Informatics.
Sr. Scientist; Director of
Research;
VP of Science & Research.
Developed isotropic field
orientation
for CoMFA clustering (IFO-COMFA) and ensemble modelling for
HQSAR. Invented the optimizable K-dissimilarity selection method
(OptiSim) used in subset selection, fingerprint visualization (HTS
DataMiner), combinatorial docking (OptiDock), combinatorial library
design (OptDesign), and other Tripos tools. Co-inventor of topomers and
CHEMSPACE. Invented the GALAHAD technology used for ligand
alignment and pharmacophore elucidation.
Research Specialist; Research
Chemist;
Herbicide Early Evaluation Team Leader; Sr. Research Chemist.
Elucidated mode(s)-of-action of herbicides by carrying out complementary biochemical and physiological studies of herbicide mode-of-action and metabolism, directing synthetic efforts towards increased potency and selectivity. Delineated the role of the peroxide burst in soybean resistance to Phytophthora zoospores and its involvement in wheat "resistance" to transformation by Agrobacterium. Helped develop the dot-blot assay for neomycin phosphotransferase (NPT II) now widely used to assess plant transformation. Responsible for test design and evaluation in primary and secondary greenhouse testing, interfacing with Discovery, Synthesis and Advanced Biology teams. Integrated modelling and experimental design into primary and secondary herbicide evaluations. Initiated combinatorial synthesis program for fungicide lead follow-up after having created two new herbicide classes, including the company's first chiral field candidate. Responsible for design and synthesis of new herbicides for use in European small grains, and for successfully improving toxicological and environmental profiles by application of biorational principles. EducationWorked as a post-doctoral student
in
Geoffrey Hind’s laboratory to isolate and characterize cytochrome b6f
complex from spinach and to study its interaction with the light
harvesting chlorophyll ab
binding protein kinase (LHCK) in spinach. This work is still
relevant to research being carried on 20 years later (Mullineaux &
Emlyn-Jones, J. Exp. Biol. 2005, 56, 389-393).
Doctoral Thesis (1981): "Energy
Transduction in Halobacterium halobium." Studied under Russell
MacDonald. Demonstrated light-driven ATP synthesis coupled to
halorhodopsin turnover both in vivo
and in vitro. The
latter involved isolating membrane vesicles from mutant cells, loading
them with ADP and phosphate by osmotic shock, then measuring
light-induced synthesis of ATP inside the vesicles. Minored in
statistics and biometry.
Studied the kinetics of NADH:NADP
transhydrogenase in submitochondrial particles from bovine heart via
UV/VIS spectroscopy using an array of spectrally distinct substrate
analogs.
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